UCSF

ZINC35017022

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 4.75 -10.65 3 5 0 71 292.36 5
Mid Mid (pH 6-8) 1.15 3.66 -35.63 2 5 -1 77 291.352 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )